Compound Detail
CHEMBL374269
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL374269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUPWEENZVLBVNM-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
1.66
ALogP
7
HBA
2
HBD
135.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.64 | 7.64 | 23.0 | 3 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| c-Jun N-terminal kinase, JNK CHEMBL2096667 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of JNK1 by ATF2 phosphorylation assay | 16971120 |
| Mitogen-activated protein kinase 8 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of JNK1 | 17055723 |
| Mitogen-activated protein kinase 8 | IC50 | = | 23.01 | nM | 7.64 | Inhibition of JNK1 | 17602798 |
| Mitogen-activated protein kinase 9 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of JNK2 by ATF2 phosphorylation assay | 16971120 |
| c-Jun N-terminal kinase, JNK | IC50 | = | 560.0 | nM | 6.25 | Inhibition of PcJun phosphorylation in HepG2 cells | 16971120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17055723 | 10.1016/j.bmcl.2006.10.013 | Rattus norvegicus | 4 |
| 16971120 | 10.1016/j.bmcl.2006.08.097 | Mitogen-activated protein kinase 8 | 1 |
| 16971120 | 10.1016/j.bmcl.2006.08.097 | Mitogen-activated protein kinase 9 | 1 |
| 16971120 | 10.1016/j.bmcl.2006.08.097 | c-Jun N-terminal kinase, JNK | 1 |
| 17055723 | 10.1016/j.bmcl.2006.10.013 | Mitogen-activated protein kinase 8 | 1 |
| 17602798 | 10.1016/j.ejmech.2007.04.020 | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine